SCHEMBL8259804

SCHEMBL8259804

CNOC(=N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
F2 P00734 2/20 0.42
PKM P14618 2/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
BLM P54132 1/20 0.41
KMT2A Q03164 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
C1S P09871 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CES1 P23141 3/20 0.36
ALOX15 P16050 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL441069 0.80 TSHR (0.52) TSHRF2PKMF10F12
Hydrochloric Acid SCHEMBL647895 0.78 TSHR (0.50) TSHRF2PKMF10F12
Hydrochloric Acid SCHEMBL1821949 0.76 TSHR (0.48) TSHRF2PKMF10F12
SCHEMBL13823348 0.76 PLK1 (0.57) TSHRPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL640638 0.74 TSHR (0.64) TSHRF2PKMKMT2AALDH1A1
SCHEMBL26474021 0.74 PRSS1 (0.61) TSHRKMT2APRSS1PRSS2PRSS3
SCHEMBL9030594 0.74 F2 (0.50) TSHRF2PKMF10F12
Hydrochloric Acid SCHEMBL1703901 0.73 TSHR (0.61) TSHRF2PKMKMT2AALDH1A1
SCHEMBL12936973 0.72 F2 (0.48) TSHRF2PKMF10F12
SCHEMBL19390280 0.71 F2 (0.42) TSHRF2PKMF10F12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
US-20100152255-A1 Organic Compounds DAMON ROBERT EDSON 2010-06-17 US disclosed
US-7700637-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7652061-B2 N-acyl nitrogen heterocycles as ligands of peroxisome proliferator-activated receptors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-7538135-B2 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds NOVARTIS AG (CH) 2009-05-26 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds COHEN DAVID SAUL 2008-06-05 US disclosed
US-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP disclosed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
US-20070043020-A1 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
WO-2006084757-A2 COMBINATION OF CA/MG SALT OF VALSARTAN WITH AN ANTIDIABETIC AGENT NOVARTIS AG (CH) 2006-08-17 WO disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-03-16 WO disclosed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD TSHR 972/4885F2 1623/4885PKM 1053/4885
US-20100152255-A1 Organic Compounds PPARG, FABP2, PPARA TSHR 1631/4885F2 1580/4885PKM 1110/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD TSHR 972/4885F2 1623/4885PKM 1053/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD TSHR 972/4885F2 1623/4885PKM 1053/4885
US-20070043020-A1 Benzenesulfonylamino compounds and pharmaceutical compositions containing these compounds PPARG, PPARA, PPARD TSHR 1281/4885F2 1604/4885PKM 1080/4885
US-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR TSHR 389/4885F2 71/4885PKM 2272/4885
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 TSHR 4795/4885F2 239/4885PKM 3755/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA TSHR 1998/4885F2 3074/4885PKM 1035/4885
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 TSHR 4795/4885F2 239/4885PKM 3755/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG TSHR 483/4885F2 4153/4885PKM 847/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.